5 papers
Coupled cluster method tailored by quantum selected configuration interaction
Luca Erhart, Yuichiro Yoshida, Wataru Mizukami
We present the quantum-selected configuration interaction-tailored coupled-cluster (QSCI-TCC) method, a hybrid quantum-classical scheme that tailors coupled-cluster (CC) theory wit…
Auxiliary-field quantum Monte Carlo method with seniority-zero trial wave function
Yuichiro Yoshida, Luca Erhart, Takuma Murokoshi +4
We present an approach that uses the doubly occupied configuration interaction (DOCI) wave function as the trial wave function in phaseless auxiliary-field quantum Monte Carlo (ph-…
Auxiliary-field quantum Monte Carlo method with quantum selected configuration interaction
Yuichiro Yoshida, Luca Erhart, Takuma Murokoshi +5
We propose using the wave function generated by the quantum selected configuration interaction (QSCI) method as the trial wave function in phaseless auxiliary-field quantum Monte C…
Chebyshev Approximated Variational Coupled Cluster for Quantum Computing
Luca Erhart, Yuichiro Yoshida, Viktor Khinevich +1
We propose an approach to approximately implement the variational coupled cluster (VCC) theory on quantum computers, which struggles with exponential scaling of computational costs…
Coupled cluster method tailored with quantum computing
Luca Erhart, Yuichiro Yoshida, Viktor Khinevich +1
Introducing an active space approximation is inevitable for the quantum computations of chemical systems. However, this approximation ignores the electron correlations related to n…